General Information of the Compound
| Compound ID |
CP0962013
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| Compound Name |
((4R,5R,11bS)-5-acetoxy-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-4-yl)methyl acetate
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| Structure |
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| Formula |
C23H28O5
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| Molecular Weight |
384.472
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| Canonical SMILES |
CC(=O)OC[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(C)=O)[C@@H]12
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| InChI |
InChI=1S/C23H28O5/c1-14(24)27-13-22(3)7-5-8-23(4)18-12-19-16(6-9-26-19)10-17(18)11-20(21(22)23)28-15(2)25/h6,9-10,12,20-21H,5,7-8,11,13H2,1-4H3/t20-,21+,22+,23-/m1/s1
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| InChIKey |
OHJIJUWZSHISLN-WZYRSQIMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound